{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Chemical Structure Depiction of
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Compound characteristics
| Compound ID: | S625-0082 |
| Compound Name: | {5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CCn4c(C3)nnc4[C@@H]3C[C@H](CN3C)O)=O)o2)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 0.1577 |
| logD: | 0.1114 |
| logSw: | -1.417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.53 |
| InChI Key: | WTHONHQBQFLTKQ-YOEHRIQHSA-N |